Q_CENTROID | |
Value of the thermostat mass of centroid degree of freedom | |
This optional keyword expects a real. Default value: -1.0000000000000000E+00 | |
Q_BEAD | |
Value of the thermostat mass of non-centroid degrees of freedom | |
This optional keyword expects a real. Default value: -1.0000000000000000E+00 | |
MODEFACTOR | |
mass scale factor for non-centroid degrees of freedom | |
This optional keyword expects a real. Default value: 1.0000000000000000E+00 |